[2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: [2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: [2-(2,6-dimethyl-1-piperidyl)-2-oxo-ethyl] 1-(5-cyano-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-cyano-2-pyridinyl)-4-piperidinecarboxylic acid [2-(2,6-dimethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid [2-(2,6-dimethylpiperidino)-2-keto-ethyl] ester Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)COC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N)C

Isomeric SMILES

CC1CCCC(N1C(=O)COC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N)C

InChI

InChI=1S/C21H28N4O3/c1-15-4-3-5-16(2)25(15)20(26)14-28-21(27)18-8-10-24(11-9-18)19-7-6-17(12-22)13-23-19/h6-7,13,15-16,18H,3-5,8-11,14H2,1-2H3